N,N-dimethyl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide

C16H25N5O2 — CID 97399487

IUPACN,N-dimethyl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide
SMILESCN(C)C(=O)N1CCC2(CC1)COCCN(c1ncccn1)C2
InChIInChI=1S/C16H25N5O2/c1-19(2)15(22)20-8-4-16(5-9-20)12-21(10-11-23-13-16)14-17-6-3-7-18-14/h3,6-7H,4-5,8-13H2,1-2H3
InChIKeyOWWYAPIQPZQXGO-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.08
Rot. Bonds1

About N,N-dimethyl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide

N,N-dimethyl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide (PubChem CID 97399487) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N,N-dimethyl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide
PubChem CID97399487
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN,N-dimethyl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide
SMILESCN(C)C(=O)N1CCC2(CC1)COCCN(c1ncccn1)C2
InChIInChI=1S/C16H25N5O2/c1-19(2)15(22)20-8-4-16(5-9-20)12-21(10-11-23-13-16)14-17-6-3-7-18-14/h3,6-7H,4-5,8-13H2,1-2H3
InChIKeyOWWYAPIQPZQXGO-UHFFFAOYSA-N
XLogP1.08
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide?
The IUPAC name of N,N-dimethyl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide (CID 97399487) is N,N-dimethyl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide?
The canonical SMILES for N,N-dimethyl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide is CN(C)C(=O)N1CCC2(CC1)COCCN(c1ncccn1)C2.
What is the InChIKey of N,N-dimethyl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide?
The InChIKey is OWWYAPIQPZQXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-19(2)15(22)20-8-4-16(5-9-20)12-21(10-11-23-13-16)14-17-6-3-7-18-14/h3,6-7H,4-5,8-13H2,1-2H3.
What are the key properties of N,N-dimethyl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide?
N,N-dimethyl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-11-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide is sourced from PubChem (CID 97399487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).